2,5-bis[3-ethyl-4-(4-methylnaphthalen-1-yl)phenyl]thiophene

C42H36S — CID 143851017

IUPAC2,5-bis[3-ethyl-4-(4-methylnaphthalen-1-yl)phenyl]thiophene
SMILESCCc1cc(-c2ccc(-c3ccc(-c4ccc(C)c5ccccc45)c(CC)c3)s2)ccc1-c1ccc(C)c2ccccc12
InChIInChI=1S/C42H36S/c1-5-29-25-31(17-21-35(29)39-19-15-27(3)33-11-7-9-13-37(33)39)41-23-24-42(43-41)32-18-22-36(30(6-2)26-32)40-20-16-28(4)34-12-8-10-14-38(34)40/h7-26H,5-6H2,1-4H3
InChIKeyHMUZANOLYHIMGU-UHFFFAOYSA-N
MW572.82 g/mol
LogP12.46
Rot. Bonds6

About 2,5-bis[3-ethyl-4-(4-methylnaphthalen-1-yl)phenyl]thiophene

2,5-bis[3-ethyl-4-(4-methylnaphthalen-1-yl)phenyl]thiophene (PubChem CID 143851017) has the molecular formula C42H36S and a molecular weight of 572.82 g/mol. Its IUPAC name is 2,5-bis[3-ethyl-4-(4-methylnaphthalen-1-yl)phenyl]thiophene.

Molecular Properties

Compound Name2,5-bis[3-ethyl-4-(4-methylnaphthalen-1-yl)phenyl]thiophene
PubChem CID143851017
Molecular FormulaC42H36S
Molecular Weight572.82 g/mol
Exact Mass572.25
IUPAC Name2,5-bis[3-ethyl-4-(4-methylnaphthalen-1-yl)phenyl]thiophene
SMILESCCc1cc(-c2ccc(-c3ccc(-c4ccc(C)c5ccccc45)c(CC)c3)s2)ccc1-c1ccc(C)c2ccccc12
InChIInChI=1S/C42H36S/c1-5-29-25-31(17-21-35(29)39-19-15-27(3)33-11-7-9-13-37(33)39)41-23-24-42(43-41)32-18-22-36(30(6-2)26-32)40-20-16-28(4)34-12-8-10-14-38(34)40/h7-26H,5-6H2,1-4H3
InChIKeyHMUZANOLYHIMGU-UHFFFAOYSA-N
XLogP12.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.82
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalene
CID 123804574
2-ethyl-4-(5-methylthiophen-2-yl)aniline
CID 67522435
[2-methyl-5-(5-methylthiophen-2-yl)phenyl]methanol
CID 19261309
1-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene
CID 59169275
2-[5-[5-(9-oxofluoren-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-one
CID 86020622
2-ethyl-4-(2-methylnaphthalen-1-yl)aniline
CID 81432895
2-ethyl-1-methyl-4-(4-methylphenyl)benzene
CID 59090118
1-(2,4,6-triethylphenyl)-4-[4-(2,4,6-triethylphenyl)naphthalen-1-yl]naphthalene
CID 102266833
1-[(2,5-dimethylphenoxy)methyl]-3-(4-ethylnaphthalen-1-yl)-6,8-bis(4-methylnaphthalen-1-yl)pyrene
CID 143283041
2-(3-methylphenyl)-5-naphthalen-1-ylthiophene
CID 59500404
2-ethyl-4-(2-iodophenyl)-1-methylbenzene
CID 142879515
4-(4-methylnaphthalen-1-yl)-1H-pyridin-2-one
CID 53405287

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[3-ethyl-4-(4-methylnaphthalen-1-yl)phenyl]thiophene?
The IUPAC name of 2,5-bis[3-ethyl-4-(4-methylnaphthalen-1-yl)phenyl]thiophene (CID 143851017) is 2,5-bis[3-ethyl-4-(4-methylnaphthalen-1-yl)phenyl]thiophene.
What is the SMILES notation for 2,5-bis[3-ethyl-4-(4-methylnaphthalen-1-yl)phenyl]thiophene?
The canonical SMILES for 2,5-bis[3-ethyl-4-(4-methylnaphthalen-1-yl)phenyl]thiophene is CCc1cc(-c2ccc(-c3ccc(-c4ccc(C)c5ccccc45)c(CC)c3)s2)ccc1-c1ccc(C)c2ccccc12.
What is the InChIKey of 2,5-bis[3-ethyl-4-(4-methylnaphthalen-1-yl)phenyl]thiophene?
The InChIKey is HMUZANOLYHIMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36S/c1-5-29-25-31(17-21-35(29)39-19-15-27(3)33-11-7-9-13-37(33)39)41-23-24-42(43-41)32-18-22-36(30(6-2)26-32)40-20-16-28(4)34-12-8-10-14-38(34)40/h7-26H,5-6H2,1-4H3.
What are the key properties of 2,5-bis[3-ethyl-4-(4-methylnaphthalen-1-yl)phenyl]thiophene?
2,5-bis[3-ethyl-4-(4-methylnaphthalen-1-yl)phenyl]thiophene has a molecular weight of 572.82 g/mol, XLogP of 12.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[3-ethyl-4-(4-methylnaphthalen-1-yl)phenyl]thiophene is sourced from PubChem (CID 143851017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).